CID 204569

16584-18-2

Structural Information

Molecular Formula
C14H17ClFNS
SMILES
CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C14H17ClFNS/c1-10(2)17(6-5-15)8-11-9-18-14-4-3-12(16)7-13(11)14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKey
QNANORLOMKBPPQ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07544 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08272 162.7
[M+Na]+ 308.06466 172.3
[M-H]- 284.06816 167.7
[M+NH4]+ 303.10926 183.7
[M+K]+ 324.03860 167.1
[M+H-H2O]+ 268.07270 156.5
[M+HCOO]- 330.07364 177.2
[M+CH3COO]- 344.08929 204.9
[M+Na-2H]- 306.05011 162.9
[M]+ 285.07489 169.5
[M]- 285.07599 169.5
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

No patent data available for this compound.