CID 524450

7-bromo-1-heptene

Structural Information

Molecular Formula
C7H13Br
SMILES
C=CCCCCCBr
InChI
InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKey
GNYDYUQVALBGGZ-UHFFFAOYSA-N
Compound name
7-bromohept-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

176.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 132.5
[M+Na]+ 199.00929 143.2
[M-H]- 175.01279 135.4
[M+NH4]+ 194.05389 156.4
[M+K]+ 214.98323 132.5
[M+H-H2O]+ 159.01733 133.5
[M+HCOO]- 221.01827 153.7
[M+CH3COO]- 235.03392 180.3
[M+Na-2H]- 196.99474 140.3
[M]+ 176.01952 151.8
[M]- 176.02062 151.8
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