CID 131569821

5-(bromomethyl)-1-chloro-3-iodo-2-methylbenzene

Structural Information

Molecular Formula
C8H7BrClI
SMILES
CC1=C(C=C(C=C1I)CBr)Cl
InChI
InChI=1S/C8H7BrClI/c1-5-7(10)2-6(4-9)3-8(5)11/h2-3H,4H2,1H3
InChIKey
GOHJRBTYFCZFEX-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1-chloro-3-iodo-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.84644 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.85372 144.2
[M+Na]+ 366.83566 151.6
[M-H]- 342.83916 144.3
[M+NH4]+ 361.88026 162.4
[M+K]+ 382.80960 144.7
[M+H-H2O]+ 326.84370 142.1
[M+HCOO]- 388.84464 157.3
[M+CH3COO]- 402.86029 196.4
[M+Na-2H]- 364.82111 140.0
[M]+ 343.84589 161.6
[M]- 343.84699 161.6
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.