CID 11790580

1-(3-bromophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CCC(C1=CC(=CC=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3
InChIKey
NFRBOGHEHVPWKF-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

213.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 139.3
[M+Na]+ 236.98855 150.1
[M-H]- 212.99205 144.4
[M+NH4]+ 232.03315 161.0
[M+K]+ 252.96249 139.1
[M+H-H2O]+ 196.99659 139.9
[M+HCOO]- 258.99753 159.1
[M+CH3COO]- 273.01318 183.2
[M+Na-2H]- 234.97400 146.0
[M]+ 213.99878 157.1
[M]- 213.99988 157.1
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