CID 7960

Bromocyclohexane

Structural Information

Molecular Formula
C6H11Br
SMILES
C1CCC(CC1)Br
InChI
InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey
AQNQQHJNRPDOQV-UHFFFAOYSA-N
Compound name
bromocyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

7530
Patents

162.00441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 128.7
[M+Na]+ 184.993628 137.7
[M-H]- 160.997134 134.3
[M+NH4]+ 180.038233 152.7
[M+K]+ 200.967568 128.3
[M+H-H2O]+ 145.001670 129.8
[M+HCOO]- 207.002611 147.6
[M+CH3COO]- 221.018261 174.7
[M+Na-2H]- 182.979076 136.5
[M]+ 162.00386142 142.1
[M]- 162.00495858 142.1
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