CID 9990781

1-(bromomethyl)-2,3,4-trimethylbenzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=C(C(=C(C=C1)CBr)C)C
InChI
InChI=1S/C10H13Br/c1-7-4-5-10(6-11)9(3)8(7)2/h4-5H,6H2,1-3H3
InChIKey
FJVNGXCGSWJLTJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,4-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

212.02007 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.027346 137.3
[M+Na]+ 235.009288 150.3
[M-H]- 211.012794 144.4
[M+NH4]+ 230.053893 160.6
[M+K]+ 250.983228 139.3
[M+H-H2O]+ 195.017330 138.2
[M+HCOO]- 257.018271 159.1
[M+CH3COO]- 271.033921 188.1
[M+Na-2H]- 232.994736 144.1
[M]+ 212.01952142 157.2
[M]- 212.02061858 157.2
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