CID 20739733

1-bromo-2-chloro-4-(propan-2-yl)benzene

Structural Information

Molecular Formula
C9H10BrCl
SMILES
CC(C)C1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C9H10BrCl/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6H,1-2H3
InChIKey
LMQLTGKBVZVFIR-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

231.96544 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97272 139.1
[M+Na]+ 254.95466 152.4
[M-H]- 230.95816 145.9
[M+NH4]+ 249.99926 162.2
[M+K]+ 270.92860 139.8
[M+H-H2O]+ 214.96270 140.8
[M+HCOO]- 276.96364 155.9
[M+CH3COO]- 290.97929 188.6
[M+Na-2H]- 252.94011 145.6
[M]+ 231.96489 159.6
[M]- 231.96599 159.6
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

patents stripe