CID 219668

2-bromo-1,3,4,5-tetramethyl-benzene

Structural Information

Molecular Formula
C10H13Br
SMILES
CC1=CC(=C(C(=C1C)C)Br)C
InChI
InChI=1S/C10H13Br/c1-6-5-7(2)10(11)9(4)8(6)3/h5H,1-4H3
InChIKey
OYAFABIVQFUGMR-UHFFFAOYSA-N
Compound name
2-bromo-1,3,4,5-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

212.02007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02735 136.2
[M+Na]+ 235.00929 150.0
[M-H]- 211.01279 143.6
[M+NH4]+ 230.05389 159.8
[M+K]+ 250.98323 139.0
[M+H-H2O]+ 195.01733 137.2
[M+HCOO]- 257.01827 157.9
[M+CH3COO]- 271.03392 189.2
[M+Na-2H]- 232.99474 142.4
[M]+ 212.01952 156.4
[M]- 212.02062 156.4
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