CID 58150156

4-bromo-2-iodo-6-methylaniline

Structural Information

Molecular Formula
C7H7BrIN
SMILES
CC1=CC(=CC(=C1N)I)Br
InChI
InChI=1S/C7H7BrIN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKey
QBRVKTCCYSLHTO-UHFFFAOYSA-N
Compound name
4-bromo-2-iodo-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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 144.0
[M+Na]+ 333.86987 141.9
[M+NH4]+ 328.91447 146.0
[M+K]+ 349.84381 143.8
[M-H]- 309.87337 140.3
[M+Na-2H]- 331.85532 137.1
[M]+ 310.88010 140.7
[M]- 310.88120 140.7
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