CID 10374753

34686-76-5

Structural Information

Molecular Formula
C6H11Br
SMILES
CCC/C=C/CBr
InChI
InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h4-5H,2-3,6H2,1H3/b5-4+
InChIKey
SGEUYXUPUOLFHQ-SNAWJCMRSA-N
Compound name
(E)-1-bromohex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

162.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 128.0
[M+Na]+ 184.993628 139.2
[M-H]- 160.997134 131.2
[M+NH4]+ 180.038233 152.5
[M+K]+ 200.967568 128.8
[M+H-H2O]+ 145.001670 129.3
[M+HCOO]- 207.002611 149.6
[M+CH3COO]- 221.018261 176.9
[M+Na-2H]- 182.979076 136.3
[M]+ 162.00386142 146.9
[M]- 162.00495858 146.9
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