CID 43114936

1-(1-chloropropyl)-4-fluorobenzene

Structural Information

Molecular Formula
C9H10ClF
SMILES
CCC(C1=CC=C(C=C1)F)Cl
InChI
InChI=1S/C9H10ClF/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKey
QKVNOVMCALSEMW-UHFFFAOYSA-N
Compound name
1-(1-chloropropyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

172.0455 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05278 131.4
[M+Na]+ 195.03472 140.4
[M-H]- 171.03822 133.8
[M+NH4]+ 190.07932 152.9
[M+K]+ 211.00866 136.6
[M+H-H2O]+ 155.04276 126.2
[M+HCOO]- 217.04370 149.4
[M+CH3COO]- 231.05935 180.0
[M+Na-2H]- 193.02017 136.9
[M]+ 172.04495 132.0
[M]- 172.04605 132.0
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