CID 28603569

2-chloro-6-(pyrrolidin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C1CCN(C1)C2=C(C(=CC=C2)Cl)C=O
InChI
InChI=1S/C11H12ClNO/c12-10-4-3-5-11(9(10)8-14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2
InChIKey
AFHHLLAGAHZCKB-UHFFFAOYSA-N
Compound name
2-chloro-6-pyrrolidin-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

209.06075 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 144.8
[M+Na]+ 232.04997 153.5
[M-H]- 208.05347 149.9
[M+NH4]+ 227.09457 164.9
[M+K]+ 248.02391 148.8
[M+H-H2O]+ 192.05801 138.2
[M+HCOO]- 254.05895 162.4
[M+CH3COO]- 268.07460 183.5
[M+Na-2H]- 230.03542 147.8
[M]+ 209.06020 144.6
[M]- 209.06130 144.6
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

patents stripe