CID 12098

(iodomethyl)benzene

Structural Information

Molecular Formula
C7H7I
SMILES
C1=CC=C(C=C1)CI
InChI
InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
XJTQJERLRPWUGL-UHFFFAOYSA-N
Compound name
iodomethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

11020
Patents

217.95924 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.96652 127.0
[M+Na]+ 240.94846 133.3
[M+NH4]+ 235.99306 132.8
[M+K]+ 256.92240 129.2
[M-H]- 216.95196 124.0
[M+Na-2H]- 238.93391 123.4
[M]+ 217.95869 126.1
[M]- 217.95979 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe