CID 13821924

1-bromo-3-propylbenzene

Structural Information

Molecular Formula
C9H11Br
SMILES
CCCC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H11Br/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7H,2,4H2,1H3
InChIKey
CXRVLYOHAQORCT-UHFFFAOYSA-N
Compound name
1-bromo-3-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

198.00441 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01169 133.9
[M+Na]+ 220.99363 138.7
[M+NH4]+ 216.03823 140.2
[M+K]+ 236.96757 137.1
[M-H]- 196.99713 135.7
[M+Na-2H]- 218.97908 139.1
[M]+ 198.00386 134.1
[M]- 198.00496 134.1
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