CID 20836312

(z)-1-bromohept-3-ene

Structural Information

Molecular Formula
C7H13Br
SMILES
CCC/C=C\CCBr
InChI
InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h4-5H,2-3,6-7H2,1H3/b5-4-
InChIKey
QLHHQXZNXUUIRO-PLNGDYQASA-N
Compound name
(Z)-1-bromohept-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

176.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 132.7
[M+Na]+ 199.009288 143.5
[M-H]- 175.012794 135.6
[M+NH4]+ 194.053893 156.7
[M+K]+ 214.983228 132.8
[M+H-H2O]+ 159.017330 133.7
[M+HCOO]- 221.018271 153.9
[M+CH3COO]- 235.033921 179.7
[M+Na-2H]- 196.994736 140.4
[M]+ 176.01952142 151.9
[M]- 176.02061858 151.9
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