CID 3334656

2-bromo-5-chloro-4-methylaniline

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC1=CC(=C(C=C1Cl)N)Br
InChI
InChI=1S/C7H7BrClN/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,10H2,1H3
InChIKey
ULCBEYQOSOVMMA-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

No literature data available for this compound.

Patent stripe

patents stripe