CID 2608655

1049712-01-7

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CNCC1=CC=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H12ClNO/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3
InChIKey
BYMWBJBTSONWMH-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)furan-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06803 148.1
[M+Na]+ 244.04997 157.5
[M-H]- 220.05347 155.8
[M+NH4]+ 239.09457 167.8
[M+K]+ 260.02391 153.6
[M+H-H2O]+ 204.05801 142.3
[M+HCOO]- 266.05895 169.6
[M+CH3COO]- 280.07460 188.8
[M+Na-2H]- 242.03542 153.9
[M]+ 221.06020 151.5
[M]- 221.06130 151.5
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.