CID 21161559

4-bromo-2-chloro-n-methylaniline

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CNC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C7H7BrClN/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKey
KUCFYEZROWEIIR-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

218.94504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 134.5
[M+Na]+ 241.93426 147.8
[M-H]- 217.93776 141.2
[M+NH4]+ 236.97886 157.6
[M+K]+ 257.90820 134.9
[M+H-H2O]+ 201.94230 135.6
[M+HCOO]- 263.94324 153.6
[M+CH3COO]- 277.95889 186.5
[M+Na-2H]- 239.91971 143.2
[M]+ 218.94449 154.0
[M]- 218.94559 154.0
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