CID 118999765

5-bromo-3-iodo-2-methylaniline hydrochloride

Structural Information

Molecular Formula
C7H7BrIN
SMILES
CC1=C(C=C(C=C1I)Br)N
InChI
InChI=1S/C7H7BrIN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKey
WDTFIPGNGFZEFI-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.88065 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.88793 145.2
[M+Na]+ 333.86987 151.0
[M-H]- 309.87337 144.9
[M+NH4]+ 328.91447 162.9
[M+K]+ 349.84381 145.5
[M+H-H2O]+ 293.87791 141.5
[M+HCOO]- 355.87885 162.8
[M+CH3COO]- 369.89450 194.0
[M+Na-2H]- 331.85532 140.2
[M]+ 310.88010 158.8
[M]- 310.88120 158.8
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

No patent data available for this compound.