CID 23475

7073-94-1

Structural Information

Molecular Formula
C9H11Br
SMILES
CC(C)C1=CC=CC=C1Br
InChI
InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey
LECYCYNAEJDSIL-UHFFFAOYSA-N
Compound name
1-bromo-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1181
Patents

198.00441 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.011686 135.1
[M+Na]+ 220.993628 146.4
[M-H]- 196.997134 141.6
[M+NH4]+ 216.038233 158.2
[M+K]+ 236.967568 136.0
[M+H-H2O]+ 181.001670 135.8
[M+HCOO]- 243.002611 156.2
[M+CH3COO]- 257.018261 183.9
[M+Na-2H]- 218.979076 142.4
[M]+ 198.00386142 153.3
[M]- 198.00495858 153.3
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