CID 83707382

2728378-04-7

Structural Information

Molecular Formula
C7H7BrClN
SMILES
C1=CC(=C(C(=C1)Cl)Br)CN
InChI
InChI=1S/C7H7BrClN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H,4,10H2
InChIKey
XGMKXZRVMQAJMT-UHFFFAOYSA-N
Compound name
(2-bromo-3-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

218.94504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.95232 135.5
[M+Na]+ 241.93426 148.8
[M-H]- 217.93776 141.7
[M+NH4]+ 236.97886 158.3
[M+K]+ 257.90820 135.5
[M+H-H2O]+ 201.94230 136.5
[M+HCOO]- 263.94324 154.0
[M+CH3COO]- 277.95889 185.9
[M+Na-2H]- 239.91971 143.1
[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