CID 7172026

4-bromo-5-chloro-2-methylaniline

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC1=CC(=C(C=C1N)Cl)Br
InChI
InChI=1S/C7H7BrClN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey
VMYZAFFWRFOHME-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

218.94504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 135.1
[M+Na]+ 241.93426 149.2
[M-H]- 217.93776 141.6
[M+NH4]+ 236.97886 158.2
[M+K]+ 257.90820 135.9
[M+H-H2O]+ 201.94230 136.3
[M+HCOO]- 263.94324 153.5
[M+CH3COO]- 277.95889 186.9
[M+Na-2H]- 239.91971 142.0
[M]+ 218.94449 153.9
[M]- 218.94559 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe