CID 880244

1-(2,3-dichlorophenyl)-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C13H11Cl2NO
SMILES
CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)Cl)C)C=O
InChI
InChI=1S/C13H11Cl2NO/c1-8-6-10(7-17)9(2)16(8)12-5-3-4-11(14)13(12)15/h3-7H,1-2H3
InChIKey
USZNZBLCWAILCR-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02176 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.02904 156.3
[M+Na]+ 290.01098 169.2
[M-H]- 266.01448 162.1
[M+NH4]+ 285.05558 175.5
[M+K]+ 305.98492 162.4
[M+H-H2O]+ 250.01902 150.6
[M+HCOO]- 312.01996 170.9
[M+CH3COO]- 326.03561 196.7
[M+Na-2H]- 287.99643 157.4
[M]+ 267.02121 161.9
[M]- 267.02231 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.